==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-12 3ZFU . COMPND 2 MOLECULE: N-TERMINAL PROTEASE NPRO; . SOURCE 2 ORGANISM_SCIENTIFIC: PESTIVIRUS STRAIN D32/00_HOBI; . AUTHOR T.ZOGG,M.SPONRING,S.SCHINDLER,M.KOLL,R.SCHNEIDER,H.BRANDSTET . 150 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 4 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 21 A M 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.0 27.8 12.1 16.4 2 22 A E - 0 0 8 1,-0.1 12,-0.1 12,-0.1 102,-0.0 -0.389 360.0-116.5 -61.1 134.2 25.0 10.7 14.3 3 23 A P - 0 0 10 0, 0.0 76,-0.3 0, 0.0 2,-0.3 -0.145 16.4-136.4 -68.5 163.0 21.6 12.2 15.4 4 24 A L - 0 0 12 74,-0.1 8,-3.0 9,-0.1 9,-0.5 -0.807 18.4-143.6-112.4 154.2 18.7 10.3 16.8 5 25 A Y B -AB 11 77A 4 72,-2.8 72,-1.6 -2,-0.3 6,-0.2 -0.935 6.5-129.9-122.5 148.0 15.2 11.1 15.6 6 26 A D > - 0 0 43 4,-2.6 3,-2.5 -2,-0.4 69,-0.1 -0.325 41.8 -88.4 -90.8 174.3 11.9 11.2 17.5 7 27 A K T 3 S+ 0 0 93 67,-0.5 24,-0.5 1,-0.3 22,-0.1 0.609 126.7 51.9 -66.7 -14.2 8.7 9.4 16.5 8 28 A N T 3 S- 0 0 142 2,-0.1 -1,-0.3 22,-0.1 24,-0.0 0.217 122.3-102.6 -98.2 4.6 7.5 12.4 14.4 9 29 A G S < S+ 0 0 42 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.446 72.9 143.7 87.1 4.1 10.8 12.6 12.5 10 30 A A - 0 0 50 1,-0.1 -4,-2.6 6,-0.0 -1,-0.3 -0.611 53.9-118.8 -73.2 131.0 12.3 15.6 14.3 11 31 A V B -A 5 0A 40 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.473 16.2-152.3 -68.5 139.1 16.1 15.4 14.9 12 32 A L S S- 0 0 82 -8,-3.0 2,-0.3 1,-0.3 -7,-0.1 0.653 74.2 -9.8 -95.4 -18.7 16.9 15.4 18.6 13 33 A F S S+ 0 0 73 -9,-0.5 -1,-0.3 2,-0.0 -9,-0.1 -0.926 113.2 25.5-160.8 172.8 20.3 17.0 18.2 14 34 A G S S- 0 0 46 -2,-0.3 -12,-0.1 -3,-0.1 -3,-0.1 -0.237 100.1 -46.0 68.4-152.9 22.7 17.8 15.4 15 35 A E - 0 0 151 -3,-0.0 -3,-0.1 1,-0.0 -2,-0.0 -0.879 58.8-106.4-115.0 144.7 21.3 18.4 11.9 16 36 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.356 32.6-168.2 -70.0 148.9 18.8 16.3 10.0 17 37 A S - 0 0 43 -2,-0.0 2,-0.2 -14,-0.0 62,-0.0 -0.951 18.5-125.2-125.2 151.4 19.8 14.0 7.1 18 38 A D - 0 0 149 -2,-0.3 2,-0.2 1,-0.1 88,-0.1 -0.539 30.9-112.5 -84.4 158.2 17.7 12.2 4.5 19 39 A T - 0 0 27 -2,-0.2 61,-0.1 1,-0.1 -1,-0.1 -0.562 42.6 -85.1 -85.3 161.6 18.1 8.4 4.0 20 40 A H > - 0 0 53 -2,-0.2 3,-2.0 87,-0.2 5,-0.1 -0.433 40.3-122.3 -64.5 140.8 19.6 7.0 0.8 21 41 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.734 110.4 48.9 -65.7 -23.4 16.8 6.6 -1.8 22 42 A Q T 3 S+ 0 0 111 79,-0.0 2,-0.1 4,-0.0 4,-0.1 0.274 85.6 115.9 -94.7 11.1 17.3 2.8 -2.2 23 43 A S S < S- 0 0 1 -3,-2.0 78,-0.2 2,-0.2 123,-0.1 -0.419 76.3-124.0 -75.2 154.7 17.3 2.2 1.6 24 44 A T S S+ 0 0 26 76,-2.1 123,-2.1 121,-0.3 2,-0.7 0.560 94.6 88.4 -76.1 -10.5 14.4 0.0 2.9 25 45 A L - 0 0 0 75,-0.6 2,-0.5 121,-0.3 -2,-0.2 -0.822 61.0-176.1 -87.5 113.1 13.7 3.0 5.2 26 46 A K - 0 0 100 -2,-0.7 -2,-0.0 122,-0.1 122,-0.0 -0.969 22.2-118.5-111.8 127.5 11.3 5.5 3.5 27 47 A L S S+ 0 0 64 -2,-0.5 2,-0.2 -8,-0.1 -8,-0.1 -0.928 80.3 42.3-125.2 149.9 10.4 8.7 5.2 28 48 A P S S+ 0 0 124 0, 0.0 -20,-0.0 0, 0.0 -19,-0.0 0.491 77.3 144.0 -77.7 161.2 8.2 10.3 6.4 29 49 A H - 0 0 31 -2,-0.2 -20,-0.0 -22,-0.1 30,-0.0 -0.929 46.3-112.5-161.2 135.6 6.4 7.4 8.1 30 50 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.326 42.5 153.0 -70.3 155.4 4.5 7.0 11.3 31 51 A R + 0 0 20 -24,-0.5 41,-0.1 43,-0.1 43,-0.1 -0.976 31.3 70.2-163.1 163.7 5.8 4.8 14.2 32 52 A G + 0 0 10 -2,-0.3 3,-0.2 2,-0.3 42,-0.1 0.715 39.2 137.0 98.0 21.7 5.6 4.4 18.0 33 53 A E S S- 0 0 164 1,-0.3 2,-0.3 40,-0.1 41,-0.1 0.890 89.1 -16.0 -54.5 -41.6 2.1 3.2 18.8 34 54 A K S S- 0 0 110 23,-0.1 2,-0.6 2,-0.0 -2,-0.3 -0.970 71.5-106.9-158.3 148.5 3.8 0.8 21.2 35 55 A E - 0 0 84 -2,-0.3 2,-0.5 38,-0.2 38,-0.3 -0.789 42.2-174.3 -76.1 123.6 7.3 -0.5 21.8 36 56 A V E -C 72 0B 5 36,-2.6 35,-2.5 -2,-0.6 36,-0.8 -0.890 10.2-159.3-128.4 99.1 7.1 -4.2 20.5 37 57 A I E -C 70 0B 102 -2,-0.5 2,-0.3 33,-0.2 33,-0.3 -0.564 15.8-176.5 -73.7 136.3 10.2 -6.4 21.0 38 58 A V E -C 69 0B 6 31,-2.6 31,-0.7 -2,-0.2 2,-0.1 -0.974 24.0-117.3-136.0 151.3 10.3 -9.5 18.6 39 59 A G > - 0 0 44 -2,-0.3 3,-1.9 3,-0.2 29,-0.1 -0.488 29.6-112.8 -86.8 158.1 12.7 -12.4 18.3 40 60 A I G > S+ 0 0 43 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.818 118.2 52.3 -58.6 -29.0 14.7 -13.0 15.1 41 61 A R G 3 S+ 0 0 234 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.366 112.6 49.2 -90.9 7.3 12.8 -16.2 14.2 42 62 A D G < S+ 0 0 71 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 -0.062 75.8 153.0-139.1 34.3 9.7 -14.2 14.6 43 63 A L < - 0 0 43 -3,-0.9 2,-0.1 1,-0.1 18,-0.1 -0.197 51.7 -93.0 -64.9 154.1 10.3 -11.0 12.4 44 64 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.391 34.1-129.0 -74.8 150.9 7.2 -9.2 11.0 45 65 A R > - 0 0 185 1,-0.1 3,-0.7 -2,-0.1 4,-0.3 -0.486 24.1-113.0 -83.0 165.5 5.8 -9.9 7.5 46 66 A K T > S+ 0 0 163 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.902 119.4 59.4 -61.5 -35.3 5.1 -7.2 4.9 47 67 A G T 3> S+ 0 0 54 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.672 93.7 66.1 -67.8 -17.4 1.3 -8.3 5.3 48 68 A D H <> S+ 0 0 27 -3,-0.7 4,-2.1 1,-0.2 -1,-0.3 0.560 81.4 78.9 -80.5 -11.2 1.6 -7.4 9.0 49 69 A a H <4 S+ 0 0 29 -3,-1.5 9,-0.4 -4,-0.3 -1,-0.2 0.960 97.0 41.5 -58.3 -54.3 2.0 -3.7 8.3 50 70 A R H 4 S+ 0 0 224 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.931 132.5 20.6 -58.0 -48.9 -1.6 -3.0 7.6 51 71 A T H < S- 0 0 83 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.495 91.5-137.6-101.6 -11.4 -3.0 -5.1 10.5 52 72 A G < - 0 0 8 -4,-2.1 -1,-0.3 6,-0.2 2,-0.3 -0.324 25.1-125.0 59.6-168.1 -0.3 -5.6 13.0 53 73 A N B > -G 56 0C 40 3,-2.3 3,-1.0 -4,-0.1 2,-0.3 -0.868 39.6 -55.8-152.5-177.6 -0.1 -9.1 14.4 54 74 A R T 3 S+ 0 0 165 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.646 127.8 49.6 -70.4 132.4 -0.1 -10.8 17.8 55 75 A L T 3 S- 0 0 73 -2,-0.3 -1,-0.2 -17,-0.0 -18,-0.1 -0.531 122.1-103.5 122.4 -47.4 2.8 -9.0 19.6 56 76 A G B < +G 53 0C 19 -3,-1.0 -3,-2.3 -20,-0.1 -20,-0.1 -0.980 66.1 5.0 141.5-148.8 1.2 -5.8 18.5 57 77 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 14,-0.1 -0.300 57.3-144.8 -69.5 157.4 1.3 -2.9 16.0 58 78 A V + 0 0 15 -9,-0.4 14,-0.2 -10,-0.3 -6,-0.2 -0.977 32.2 160.5-127.6 122.6 3.9 -3.0 13.2 59 79 A S - 0 0 6 12,-3.0 89,-1.5 -2,-0.4 2,-0.3 0.397 68.3 -81.1-109.9 1.9 5.8 0.0 11.7 60 80 A G E -D 147 0B 4 11,-1.0 2,-0.4 87,-0.3 -1,-0.3 -0.997 68.6 -41.0 137.8-141.8 8.7 -2.0 10.1 61 81 A L E +D 146 0B 11 85,-2.1 84,-1.9 -2,-0.3 85,-1.9 -0.995 46.0 178.7-134.0 131.6 11.9 -3.4 11.6 62 82 A F E -DE 144 70B 0 8,-1.8 8,-2.1 -2,-0.4 2,-0.4 -0.934 8.1-179.2-122.7 151.7 14.3 -1.8 14.2 63 83 A V E +DE 143 69B 0 80,-2.1 80,-3.0 -2,-0.3 6,-0.2 -0.993 10.9 176.9-154.1 152.8 17.4 -3.3 15.6 64 84 A K E > - E 0 68B 27 4,-1.7 4,-2.1 -2,-0.4 73,-0.1 -0.925 49.0 -67.2-142.2 161.5 20.2 -2.6 18.1 65 85 A P T 4 S+ 0 0 43 0, 0.0 53,-0.1 0, 0.0 70,-0.1 -0.199 110.1 55.5 -51.5 144.3 23.2 -4.5 19.4 66 86 A G T 4 S- 0 0 69 51,-0.4 2,-0.1 1,-0.2 52,-0.1 -0.333 125.7 -93.3 154.4 -64.6 22.3 -7.5 21.6 67 87 A P T 4 S+ 0 0 45 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.562 72.3 168.3 -83.4 145.6 20.7 -8.3 19.1 68 88 A V E < - E 0 64B 41 -4,-2.1 -4,-1.7 -2,-0.1 2,-0.3 -0.999 13.2-166.0-118.3 130.9 17.3 -6.7 20.0 69 89 A F E -CE 38 63B 6 -31,-0.7 -31,-2.6 -2,-0.4 2,-0.3 -0.859 4.2-171.0-116.5 149.0 14.7 -6.5 17.3 70 90 A Y E -CE 37 62B 7 -8,-2.1 -8,-1.8 -2,-0.3 -33,-0.2 -0.984 26.8-163.0-134.1 150.6 11.4 -4.5 17.2 71 91 A Q E S+ 0 0 0 -35,-2.5 -12,-3.0 1,-0.4 -11,-1.0 0.522 91.2 15.3-105.5 -7.5 8.5 -4.3 15.0 72 92 A D E +C 36 0B 4 -36,-0.8 -36,-2.6 -14,-0.2 -1,-0.4 -0.952 66.1 178.6-156.4 155.0 7.5 -0.9 16.6 73 93 A Y - 0 0 22 -2,-0.3 -38,-0.2 -38,-0.3 -40,-0.1 -0.967 15.5-169.9-160.5 136.3 9.3 1.6 18.7 74 94 A S + 0 0 33 -2,-0.3 -67,-0.5 -42,-0.1 3,-0.1 0.620 64.0 76.8-105.0 -21.3 8.4 4.9 20.2 75 95 A G S S- 0 0 20 1,-0.2 -70,-0.1 -69,-0.1 -2,-0.1 -0.023 96.6 -52.6 -81.6-168.6 11.6 6.3 21.5 76 96 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 -70,-0.2 -0.299 61.3 178.0 -61.2 143.0 14.6 7.9 19.7 77 97 A V B -B 5 0A 0 -72,-1.6 -72,-2.8 64,-0.2 2,-0.4 -0.960 30.3-107.9-147.7 156.6 16.1 6.0 16.8 78 98 A Y B -f 143 0B 0 64,-2.6 66,-2.4 -2,-0.3 -74,-0.1 -0.811 14.1-167.5 -86.9 134.1 18.8 6.2 14.2 79 99 A H S S+ 0 0 8 -2,-0.4 23,-0.4 -76,-0.3 2,-0.3 0.492 82.8 34.7 -89.2 -9.7 17.8 6.8 10.5 80 100 A R S S- 0 0 33 -77,-0.3 23,-0.2 21,-0.1 -1,-0.1 -0.981 100.7 -93.4-145.6 146.5 21.3 5.9 9.5 81 101 A A B -h 103 0D 0 21,-2.4 2,-1.8 -2,-0.3 23,-1.4 -0.467 37.6-128.2 -61.0 120.3 23.9 3.5 10.8 82 102 A P > - 0 0 0 0, 0.0 3,-3.6 0, 0.0 4,-0.3 -0.544 28.5-172.8 -74.7 85.5 26.1 5.4 13.3 83 103 A L G > S+ 0 0 30 -2,-1.8 3,-1.7 1,-0.3 -2,-0.0 0.769 76.6 70.6 -63.3 -19.8 29.3 4.3 11.7 84 104 A E G 3 S+ 0 0 91 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.768 98.5 50.2 -61.4 -24.6 31.3 5.9 14.5 85 105 A Q G < S+ 0 0 6 -3,-3.6 51,-2.7 50,-0.0 50,-1.5 0.390 101.0 82.9 -93.2 -1.7 29.9 3.0 16.7 86 106 A F E < -I 134 0E 9 -3,-1.7 2,-0.4 -4,-0.3 48,-0.2 -0.739 63.9-151.8-103.4 155.4 31.0 0.3 14.2 87 107 A K E -I 133 0E 114 46,-2.0 46,-3.1 -2,-0.3 -2,-0.0 -0.972 30.2-100.7-129.0 138.8 34.4 -1.4 13.7 88 108 A Q E +I 132 0E 117 -2,-0.4 44,-0.3 44,-0.3 42,-0.0 -0.306 54.7 169.4 -51.9 133.4 35.8 -2.8 10.5 89 109 A A - 0 0 23 42,-2.9 42,-0.1 3,-0.0 2,-0.1 -0.992 38.2 -91.5-146.7 160.3 35.5 -6.7 10.6 90 110 A P - 0 0 104 0, 0.0 42,-0.0 0, 0.0 0, 0.0 -0.446 59.3 -88.1 -66.5 146.2 35.8 -9.8 8.6 91 111 A M - 0 0 84 -2,-0.1 2,-0.2 1,-0.1 40,-0.0 -0.232 51.3-146.4 -48.3 136.8 32.6 -11.0 6.8 92 112 A b - 0 0 18 -3,-0.1 2,-0.5 26,-0.0 -1,-0.1 -0.578 22.9 -94.4-104.4 167.3 30.6 -13.3 9.1 93 113 A E - 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